CID 13529741

(3s,4s)-2,5-dimethylhexane-3,4-diamine dihydrochloride

Structural Information

Molecular Formula
C8H20N2
SMILES
CC(C)C(C(C(C)C)N)N
InChI
InChI=1S/C8H20N2/c1-5(2)7(9)8(10)6(3)4/h5-8H,9-10H2,1-4H3
InChIKey
KQDYUNYMUMMKOL-UHFFFAOYSA-N
Compound name
2,5-dimethylhexane-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

144.16264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.169916 139.5
[M+Na]+ 167.151858 143.3
[M-H]- 143.155364 138.6
[M+NH4]+ 162.196463 159.8
[M+K]+ 183.125798 143.7
[M+H-H2O]+ 127.159900 134.1
[M+HCOO]- 189.160841 159.3
[M+CH3COO]- 203.176491 185.2
[M+Na-2H]- 165.137306 138.4
[M]+ 144.16209142 135.1
[M]- 144.16318858 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe